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Information card for entry 2108553
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| Coordinates | 2108553.cif |
|---|---|
| Structure factors | 2108553.hkl |
| Original IUCr paper | HTML |
| Common name | Caesium borophosphate hydroxide |
|---|---|
| Chemical name | Caesium Borodiphosphate Dihydroxide |
| Formula | B Cs H2 O8 P2 |
| Calculated formula | B Cs H2 O8 P2 |
| Title of publication | Chain caesium borophosphates with B:P ratio 1:2: synthesis, structure relationships and low-temperature thermodynamic properties |
| Authors of publication | Shvanskaya, Larisa; Yakubovich, Olga; Krikunova, Polina; Ovchenkov, Evgeny; Vasiliev, Alexander |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 6 |
| a | 13.4002 ± 0.0003 Å |
| b | 7.4869 ± 0.0002 Å |
| c | 14.5329 ± 0.0003 Å |
| α | 90° |
| β | 90.059 ± 0.002° |
| γ | 90° |
| Cell volume | 1458.03 ± 0.06 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.0434 |
| Residual factor for significantly intense reflections | 0.0344 |
| Weighted residual factors for significantly intense reflections | 0.0653 |
| Weighted residual factors for all reflections included in the refinement | 0.0684 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.133 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 232449 (current) | 2019-11-23 | cif/ hkl/ Adding structures of 2108553, 2108554, 2108555 via cif-deposit CGI script. |
2108553.cif 2108553.hkl |
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Users of the data should acknowledge the original authors of the
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